5-(propylamino)-1,3-thiazole-4-carboxylic acid

C7H10N2O2S — CID 64631089

IUPAC5-(propylamino)-1,3-thiazole-4-carboxylic acid
SMILESCCCNc1scnc1C(=O)O
InChIInChI=1S/C7H10N2O2S/c1-2-3-8-6-5(7(10)11)9-4-12-6/h4,8H,2-3H2,1H3,(H,10,11)
InChIKeyQGXZDICJSKOAMF-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.66
Rot. Bonds4

About 5-(propylamino)-1,3-thiazole-4-carboxylic acid

5-(propylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 64631089) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 5-(propylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(propylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID64631089
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name5-(propylamino)-1,3-thiazole-4-carboxylic acid
SMILESCCCNc1scnc1C(=O)O
InChIInChI=1S/C7H10N2O2S/c1-2-3-8-6-5(7(10)11)9-4-12-6/h4,8H,2-3H2,1H3,(H,10,11)
InChIKeyQGXZDICJSKOAMF-UHFFFAOYSA-N
XLogP1.66
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631692
5-(2-methylsulfanylethylamino)-1,3-thiazole-4-carboxylic acid
CID 64629683
5-(2-methoxyethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631291
5-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631295
5-[[3-(tert-butylamino)-3-oxopropyl]amino]-1,3-thiazole-4-carboxylic acid
CID 113411095
5-(5-methylhexylamino)-1,3-thiazole-4-carboxylic acid
CID 115327010
5-[2-(2-methoxyethoxy)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 64628892
5-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 64631108
5-(hex-5-ynylamino)-1,3-thiazole-4-carboxylic acid
CID 106215466
5-(2,3,3-trimethylbutylamino)-1,3-thiazole-4-carboxylic acid
CID 83147542
5-(2-cyclohexylethylamino)-1,3-thiazole-4-carboxylic acid
CID 64629476
5-[(1-ethylcyclopentyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 114126141

Frequently Asked Questions

What is the IUPAC name of 5-(propylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(propylamino)-1,3-thiazole-4-carboxylic acid (CID 64631089) is 5-(propylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(propylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(propylamino)-1,3-thiazole-4-carboxylic acid is CCCNc1scnc1C(=O)O.
What is the InChIKey of 5-(propylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is QGXZDICJSKOAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-3-8-6-5(7(10)11)9-4-12-6/h4,8H,2-3H2,1H3,(H,10,11).
What are the key properties of 5-(propylamino)-1,3-thiazole-4-carboxylic acid?
5-(propylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 186.24 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64631089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).